10-azanyl-2-[[1-(carboxymethyl)-2-oxidanylidene-6-phenyl-azepan-3-yl]amino]decanoic acid

Systemtic Name: 10-azanyl-2-[[1-(carboxymethyl)-2-oxidanylidene-6-phenyl-azepan-3-yl]amino]decanoic acid Openeye Name: 10-amino-2-[[1-(carboxymethyl)-2-oxo-6-phenyl-azepan-3-yl]amino]decanoic acid CAS Name: 10-amino-2-[[1-(carboxymethyl)-2-oxo-6-phenyl-3-azepanyl]amino]decanoic acid IUPAC Name: 10-amino-2-[[1-(carboxymethyl)-2-oxo-6-phenylazepan-3-yl]amino]decanoic acid Traditional Name: 10-amino-2-[[1-(carboxymethyl)-2-keto-6-phenyl-azepan-3-yl]amino]capric acid Formula: C24H37N3O5 MolecularWeight: 447.56768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(CC1C2=CC=CC=C2)CC(=O)O)NC(CCCCCCCCN)C(=O)O

Isomeric SMILES

C1CC(C(=O)N(CC1C2=CC=CC=C2)CC(=O)O)NC(CCCCCCCCN)C(=O)O

InChI

InChI=1S/C24H37N3O5/c25-15-9-4-2-1-3-8-12-21(24(31)32)26-20-14-13-19(18-10-6-5-7-11-18)16-27(23(20)30)17-22(28)29/h5-7,10-11,19-21,26H,1-4,8-9,12-17,25H2,(H,28,29)(H,31,32)